
     RDKit          3D

 79 83  0  0  0  0  0  0  0  0999 V2000
    8.9567   -1.6090    2.5114 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5364   -0.2906    1.4645 S   0  0  0  0  0  6  0  0  0  0  0  0
   10.8809   -0.6662    0.9089 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6776    0.9795    2.2573 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4295   -0.0472    0.1503 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1542    0.5888    0.3197 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5801    0.9682    1.5168 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3596    1.5065    1.1519 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2195    1.4557   -0.1883 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3152    0.9049   -0.6887 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5105    0.6726   -2.1191 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0866   -0.7491   -2.5050 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6997   -1.0143   -2.1208 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5802   -0.3864   -2.7677 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7736    0.4408   -3.7005 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1974   -0.6835   -2.3406 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8305   -1.9769   -1.9465 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5208   -2.2521   -1.5529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4496   -1.2312   -1.5258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0917    0.0709   -1.9448 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2265    0.3289   -2.3563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1060    1.1927   -1.9719 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5878    1.5429   -0.5865 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6835    1.9579    0.4021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1338    2.2377    1.6954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4868    2.0939    2.0150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4050    1.6777    1.0383 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9508    1.4472   -0.2728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8537    1.4508    1.3993 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3653    0.2458    0.7007 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4136    0.5608   -0.2989 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7553    0.9833    0.3394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0908    2.4690    0.3319 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7506    1.5379   -0.6708 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7611   -0.8634    1.5975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5699   -1.5217    2.3240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3130   -1.7785    1.4731 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5723   -2.5126    0.1481 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2591   -2.7255   -0.6098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7620   -1.4696   -1.0809 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9533   -1.3609    2.9101 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8952   -2.5470    1.9203 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6642   -1.7501    3.3558 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7277   -0.3741   -0.7944 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9740    0.8663    2.5183 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6164    1.9097    1.8271 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5744    0.8335   -2.3911 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9226    1.4157   -2.6978 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7535   -1.4772   -1.9942 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2052   -0.8925   -3.6005 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5330   -1.6775   -1.3307 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5495   -2.7857   -1.9692 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2747   -3.2671   -1.2757 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5033    1.3283   -2.6731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9522    0.8824   -2.6238 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6768    2.1073   -2.4330 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3703    2.0550    0.1724 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4304    2.5492    2.4552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8128    2.2898    3.0282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6461    1.1362   -1.0390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9616    1.3505    2.5023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4139    2.3683    1.1221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0365    1.3408   -0.9968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5950   -0.3383   -0.9260 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2474    0.3486    1.1063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7652    2.7919    1.1520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3409    3.1490   -0.1252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8163    1.3273   -0.4449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3860    1.6800   -1.7131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4836   -0.5056    2.3628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2712   -1.6593    1.0085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9156   -2.4923    2.7440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2756   -0.8850    3.1853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7900   -0.8265    1.2756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6147   -2.3883    2.0877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2656   -1.9315   -0.4957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0349   -3.5000    0.3624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4298   -3.4034   -1.4729 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5286   -3.2041    0.0785 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  2  4  2  0
  2  5  1  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  2  0
 14 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 20 22  1  0
 22 23  1  0
 23 24  2  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 27 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 30 35  1  0
 35 36  1  0
 36 37  1  0
 37 38  1  0
 38 39  1  0
 39 40  1  0
 10  6  1  0
 21 16  1  0
 28 23  1  0
 34 32  1  0
 40 19  1  0
  1 41  1  0
  1 42  1  0
  1 43  1  0
  5 44  1  0
  7 45  1  0
  8 46  1  0
 11 47  1  0
 11 48  1  0
 12 49  1  0
 12 50  1  0
 13 51  1  0
 17 52  1  0
 18 53  1  0
 21 54  1  0
 22 55  1  0
 22 56  1  0
 24 57  1  0
 25 58  1  0
 26 59  1  0
 28 60  1  0
 29 61  1  0
 29 62  1  0
 31 63  1  0
 31 64  1  0
 32 65  1  0
 33 66  1  0
 33 67  1  0
 34 68  1  0
 34 69  1  0
 35 70  1  0
 35 71  1  0
 36 72  1  0
 36 73  1  0
 37 74  1  0
 37 75  1  0
 38 76  1  0
 38 77  1  0
 39 78  1  0
 39 79  1  0
M  END
$$$$
